AC1Q6XAL
2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid;cyclohexanamine
Also Known As: alpha,alpha'-Diaminosuberic acid|2-({2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl}sulfanyl)ethanesulfonic acid-cyclohexanamine(1:1)|2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid; cyclohexanamine
CAS: 94503-95-4
| Molecular Formula | C15H32Cl2N3O4PS2 |
|---|---|
| Molecular Weight | 483.09488 g/mol |
| LogP | 3.2277 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.09488 |
| Monoisotopic Mass | 483.09488 |
| Heavy Atoms | 27 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 94503-95-4 |
|---|---|
| SMILES | C1CCC(CC1)N.C1COP(NC1SCCS(=O)(=O)O)N(CCCl)CCCl |
| InChIKey | QDSMXYFVMANUFH-UHFFFAOYSA-N |
Product Overview
AC1Q6XAL (CAS 94503-95-4), with molecular formula C15H32Cl2N3O4PS2 and molecular weight 483.09488 g/mol. IUPAC: 2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid;cyclohexanamine.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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